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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy | |
| Cation | Neutral | Difference | Vertical | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -139.2846931 | -139.7388575 | 0.4541644 | 0.0000000 | 139.7388575 | ||||||
| cm-1 | 7045.0 | 8261.6 | -1216.6 | ||||||||
| eV | -3790.129 | 0.873 | -3789.256 | -3802.488 | 1.024 | -3801.463 | 12.358 | -0.151 | 12.208 | 0.000 | 3802.488 |